SCHEMBL13200052

SCHEMBL13200052

CC(C)(C)c1cc(NC(=O)Cc2ccc(NC(=O)c3ccccn3)cc2)no1

nearest known ligand 0.75

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 10/20 0.75
CSF1R P07333 4/20 0.58
ROCK1 Q13464 1/20 0.57
RET P07949 7/20 0.56
PDGFRB P09619 2/20 0.56
KIT P10721 2/20 0.56
PDGFRA P16234 2/20 0.56
NTRK1 P04629 1/20 0.54
RAF1 P04049 1/20 0.53
EGFR P00533 1/20 0.52
MEN1 O00255 1/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
KMT2A Q03164 1/20 0.52

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13200126 0.88 FLT3 (0.58) FLT3CSF1RRETPDGFRBKIT
SCHEMBL12065994 0.86 FLT3 (0.59) FLT3CSF1RRETPDGFRBKIT
SCHEMBL13200200 0.86 FLT3 (0.77) FLT3CSF1RROCK1RETPDGFRB
SCHEMBL13200037 0.86 FLT3 (0.73) FLT3ROCK1RETNTRK1RAF1
SCHEMBL13234669 0.86 FLT3 (1.00) FLT3CSF1RRETPDGFRBKIT
SCHEMBL13200140 0.86 FLT3 (0.60) FLT3CSF1RROCK1RETPDGFRB
SCHEMBL13200373 0.86 FLT3 (0.58) FLT3CSF1RROCK1RETPDGFRB
SCHEMBL13200087 0.86 FLT3 (0.56) FLT3CSF1RROCK1RETPDGFRB
Hydrochloric Acid SCHEMBL9978965 0.85 FLT3 (0.58) FLT3CSF1RRETPDGFRBKIT
SCHEMBL13200063 0.85 FLT3 (0.60) FLT3CSF1RROCK1RETPDGFRB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7767670-B2 Substituted 3-carboxamido isoxazoles as kinase modulators AMBIT BIOSCIENCES CORPORATION (US) 2010-08-03 US disclosed
US-7767670-B2 Substituted 3-carboxamido isoxazoles as kinase modulators AMBIT BIOSCIENCES CORPORATION (US) 2010-08-03 US disclosed